General Information of the Compound
| Compound ID |
CP0548739
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| Compound Name |
4-cyclohexylbutyl N-[(2S,3S)-1-heptoxy-2-methyl-4-oxoazetidin-3-yl]carbamate
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| Structure |
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| Formula |
C22H40N2O4
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| Molecular Weight |
396.572
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| Canonical SMILES |
CCCCCCCON1[C@@H](C)[C@H](NC(=O)OCCCCC2CCCCC2)C1=O
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| InChI |
InChI=1S/C22H40N2O4/c1-3-4-5-6-11-17-28-24-18(2)20(21(24)25)23-22(26)27-16-12-10-15-19-13-8-7-9-14-19/h18-20H,3-17H2,1-2H3,(H,23,26)/t18-,20-/m0/s1
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| InChIKey |
PTKMFDWUVXNUKK-ICSRJNTNSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound